Measuring aromaticity by NMR

Article Abstract:

The focus of this review is the attempts to measure aromaticity via NMR. The ring currents in different molecules have been compared, the effects of the annulene on the benzene probe have been bond localized and the use of the annulene probe in comparing the test molecule to the prototype aromatic benzene has been discussed.

Canada, Nuclear magnetic resonance spectroscopy, Ring formation (Chemistry), Cyclization (Chemistry)

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Conceptual and computational DFT in the study of aromaticity

Article Abstract:

This review is focused on the the concept of the aromaticity of compounds. The molecular properties obtained via quantum mechanical methods and the benefit of the density functional theory in studying the aromaticity have been analyzed and discussed.

Belgium, Quantum theory, Quantum mechanics, Density functionals, Density-functional theory

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A different story of pi-delocalization-the distortivity of pi-electrons and its chemical manifestations

Article Abstract:

The aim of this article is to review the publications on the delocalized pi-electronic component of benzene. The use of the modern all-electron ab initio calculations in demonstrating this concept, its chemical manifestations in the ground, and excited states of organic molecules and their isoelectronic analogues have been analyzed.

Israel, France, Electrons, Molecular orbitals

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